NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4275 8.3349 115.2930 57.6185 63.5337 173.6174
  2     L  4.0415 8.4025 127.6291 53.7224 42.1833 175.1293
  3     Y  4.4303 8.6647 122.7047 58.0513 40.1975 175.0453
  4     N  4.5540 8.2663 122.7378 53.9823 40.5143 174.3862
  5     T  4.3596 5.7900 110.4799 60.5579 67.3903 173.7662
  6     V  3.6850 7.1994 120.9030 63.3761 32.5538 174.4667
  7     A  4.8217 8.3439 127.9866 50.3929 21.7523 175.9195
  8     T  4.4399 8.0269 109.4341 60.2673 70.5309 175.1170
  9     L  4.1677 8.2909 121.0956 55.2484 41.6629 177.2159

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     S  8.33 4.43 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     L  8.40 4.04 0.00 1.78 1.63 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 
  3     Y  8.66 4.43 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     N  8.27 4.55 0.00 2.63 2.68 0.00 0.00 6.73 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     T  5.79 4.36 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 
  6     V  7.20 3.68 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 
  7     A  8.34 4.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     T  8.03 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 
  9     L  8.29 4.17 0.00 1.66 1.63 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00